N-[(E)-but-2-enyl]cyclobutanecarboxamide

C9H15NO — CID 178010303

IUPACN-[(E)-but-2-enyl]cyclobutanecarboxamide
SMILESC/C=C/CNC(=O)C1CCC1
InChIInChI=1S/C9H15NO/c1-2-3-7-10-9(11)8-5-4-6-8/h2-3,8H,4-7H2,1H3,(H,10,11)/b3-2+
InChIKeyFFSLZZKGKHLGAX-NSCUHMNNSA-N
MW153.22 g/mol
LogP1.48
Rot. Bonds3

About N-[(E)-but-2-enyl]cyclobutanecarboxamide

N-[(E)-but-2-enyl]cyclobutanecarboxamide (PubChem CID 178010303) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]cyclobutanecarboxamide
PubChem CID178010303
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-[(E)-but-2-enyl]cyclobutanecarboxamide
SMILESC/C=C/CNC(=O)C1CCC1
InChIInChI=1S/C9H15NO/c1-2-3-7-10-9(11)8-5-4-6-8/h2-3,8H,4-7H2,1H3,(H,10,11)/b3-2+
InChIKeyFFSLZZKGKHLGAX-NSCUHMNNSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]cyclobutanecarboxamide?
The IUPAC name of N-[(E)-but-2-enyl]cyclobutanecarboxamide (CID 178010303) is N-[(E)-but-2-enyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(E)-but-2-enyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(E)-but-2-enyl]cyclobutanecarboxamide is C/C=C/CNC(=O)C1CCC1.
What is the InChIKey of N-[(E)-but-2-enyl]cyclobutanecarboxamide?
The InChIKey is FFSLZZKGKHLGAX-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-7-10-9(11)8-5-4-6-8/h2-3,8H,4-7H2,1H3,(H,10,11)/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]cyclobutanecarboxamide?
N-[(E)-but-2-enyl]cyclobutanecarboxamide has a molecular weight of 153.22 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]cyclobutanecarboxamide is sourced from PubChem (CID 178010303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).